Discovery of novel halogenated 8‐hydroxyquinoline‐based anti‐MRSA agents: In vitro and QSAR studies
| Autor: | Nujarin Sinthupoom, Ratana Lawung, Virapong Prachayasittikul, Somsak Ruchirawat, Srisurang Tantimavanich, Rungrot Cherdtrakulkiat, Supaluk Prachayasittikul, Apilak Worachartcheewan |
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| Rok vydání: | 2019 |
| Předmět: |
Methicillin-Resistant Staphylococcus aureus
Quantitative structure–activity relationship Quantitative Structure-Activity Relationship Microbial Sensitivity Tests Anti mrsa medicine.disease_cause Chloroquinolinols 03 medical and health sciences chemistry.chemical_compound Halogens 0302 clinical medicine Drug Discovery medicine Molecular Structure Chemistry Rational design 8-Hydroxyquinoline Oxyquinoline Antimicrobial Methicillin-resistant Staphylococcus aureus Combinatorial chemistry In vitro Staphylococcus aureus Drug Design 030220 oncology & carcinogenesis 030217 neurology & neurosurgery |
| Zdroj: | Drug Development Research. 81:127-135 |
| ISSN: | 1098-2299 0272-4391 |
| DOI: | 10.1002/ddr.21611 |
| Popis: | Methicillin-resistant Staphylococcus aureus (MRSA) infection has been considered to be one of global health problems due to limited classes of effective antimicrobial drugs. Herein, 8-hydroxyquinoline (8HQ) and its derivatives (1-7) were investigated for their anti-MRSA and antioxidant activities. Cloxyquin (2), a halogenated 8HQ, exerted the highest antimicrobial activity (MIC50 ≤ 5.57 μM) with high safety index, whereas an amino-derivative 7 showed the strongest antioxidant activity. Additionally, quantitative structure-activity relationship (QSAR) study demonstrated that mass, polarizability, topological charge, and van der Waals volume are essential properties governing the anti-MRSA activity. Taken together, cloxyquin was highlighted as a promising compound for further development as a novel anti-MRSA agent. QSAR findings would also benefit for further rational design of novel 8HQ-based compounds to combat the MRSA resistance. |
| Databáze: | OpenAIRE |
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